N-[methyl(prop-2-enoyl)amino]formamide

C5H8N2O2 — CID 88764166

IUPACN-[methyl(prop-2-enoyl)amino]formamide
SMILESC=CC(=O)N(C)NC=O
InChIInChI=1S/C5H8N2O2/c1-3-5(9)7(2)6-4-8/h3-4H,1H2,2H3,(H,6,8)
InChIKeyPIHKPKPTVOVLOM-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.71
Rot. Bonds3

About N-[methyl(prop-2-enoyl)amino]formamide

N-[methyl(prop-2-enoyl)amino]formamide (PubChem CID 88764166) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-[methyl(prop-2-enoyl)amino]formamide.

Molecular Properties

Compound NameN-[methyl(prop-2-enoyl)amino]formamide
PubChem CID88764166
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-[methyl(prop-2-enoyl)amino]formamide
SMILESC=CC(=O)N(C)NC=O
InChIInChI=1S/C5H8N2O2/c1-3-5(9)7(2)6-4-8/h3-4H,1H2,2H3,(H,6,8)
InChIKeyPIHKPKPTVOVLOM-UHFFFAOYSA-N
XLogP-0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[methyl(prop-2-enoyl)amino]formamide?
The IUPAC name of N-[methyl(prop-2-enoyl)amino]formamide (CID 88764166) is N-[methyl(prop-2-enoyl)amino]formamide.
What is the SMILES notation for N-[methyl(prop-2-enoyl)amino]formamide?
The canonical SMILES for N-[methyl(prop-2-enoyl)amino]formamide is C=CC(=O)N(C)NC=O.
What is the InChIKey of N-[methyl(prop-2-enoyl)amino]formamide?
The InChIKey is PIHKPKPTVOVLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-5(9)7(2)6-4-8/h3-4H,1H2,2H3,(H,6,8).
What are the key properties of N-[methyl(prop-2-enoyl)amino]formamide?
N-[methyl(prop-2-enoyl)amino]formamide has a molecular weight of 128.13 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(prop-2-enoyl)amino]formamide is sourced from PubChem (CID 88764166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).